Spektraris NMR
3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-D-glucopyranosyl-(1f3)]-Ç-D-galactopyranosyl-(20R,22R)-16
![3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-D-glucopyranosyl-(1f3)]-Ç-D-galactopyranosyl-(20R,22R)-16](/nmr/static/nmr/svg/3075.svg)
Common Name: 3-O-R-L-rhamnopyranosyl-(1f2)-[(4-sulfo)-Ç-D-glucopyranosyl-(1f3)]-Ç-D-galactopyranosyl-(20R,22R)-16
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O21S/c1-21(2)9-12-29-46(8,57)39-23-10-11-27-44(6)15-14-28(43(4,5)26(44)13-16-45(27,7)47(23)19-48(39,68-29)61-20-47)65-42-38(67-40-34(55)32(53)30(51)22(3)62-40)37(31(52)24(17-49)63-42)66-41-35(56)33(54)36(25(18-50)64-41)69-70(58,59)60/h9,22-42,49-57H,10-20H2,1-8H3,(H,58,59,60)/t22-,23+,24+,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-,44-,45+,46-,47-,48-/m0/s1
InChIKey: InChIKey=XHOKVHJYEFYPAQ-KSCUVNRVSA-N
Formula: C48H78O21S1
Molecular Weight: 1023.18829
Exact Mass: 1022.47563
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Maciuk, A., Lavaud, C., Thepenier, P., Jacquier, M.J., Ghedira, K., Zeches-Hanrot, M. J Nat Prod (2004) 67, 1639-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.6 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 88.4 |
| 4 (C) | 39 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 35.4 |
| 8 (C) | 37.2 |
| 9 (CH) | 52.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 20.7 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 36.7 |
| 14 (C) | 56.1 |
| 15 (CH2) | 37 |
| 16 (C) | 116.9 |
| 17 (CH) | 61.5 |
| 18 (CH2) | 65.1 |
| 19 (CH3) | 15.6 |
| 20 (C) | 74.7 |
| 21 (CH3) | 22 |
| 22 (CH) | 94.1 |
| 23 (CH2) | 27.2 |
| 24 (CH) | 120.6 |
| 25 (C) | 132.1 |
| 26 (CH3) | 24.4 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 26.9 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 17.7 |
| 1' (CH) | 104.4 |
| 2' (CH) | 73.8 |
| 3' (CH) | 84.5 |
| 4' (CH) | 68.7 |
| 5' (CH) | 74.4 |
| 6' (CH2) | 60.8 |
| 1'' (CH) | 100.4 |
| 2'' (CH) | 70.5 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 72.4 |
| 5'' (CH) | 68.5 |
| 6'' (CH3) | 16.5 |
| 1''' (CH) | 103.6 |
| 2''' (CH) | 73.6 |
| 3''' (CH) | 75.4 |
| 4''' (CH) | 75.8 |
| 5''' (CH) | 74.7 |
| 6''' (CH2) | 60.6 |
